2-[(2-ethoxy-2-oxidanylidene-ethyl)-(phosphonomethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(phosphonomethyl)carbamoyl]benzoic acid Openeye Name: 2-[(2-ethoxy-2-oxo-ethyl)-(phosphonomethyl)carbamoyl]benzoic acid CAS Name: 2-[[(2-ethoxy-2-oxoethyl)-(phosphonomethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)-(phosphonomethyl)carbamoyl]benzoic acid Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)-(phosphonomethyl)carbamoyl]benzoic acid Formula: C13H16NO8P MolecularWeight: 345.241801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(O)O)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCOC(=O)CN(CP(=O)(O)O)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16NO8P/c1-2-22-11(15)7-14(8-23(19,20)21)12(16)9-5-3-4-6-10(9)13(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H2,19,20,21)